SCHEMBL8965264

SCHEMBL8965264

C[C@@H](C#Cc1cccc(-c2ccc(F)cc2)c1)NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.39
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
EPHX2 P34913 3/20 0.36
MCHR1 Q99705 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
HAO2 Q9NYQ3 1/20 0.35
CNR1 P21554 1/20 0.35
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP13 P45452 2/20 0.34
FFAR1 O14842 1/20 0.34
KAT6A Q92794 1/20 0.34
ADAMTS4 O75173 1/20 0.34
PTGES O14684 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8198208 0.80 ALOX5 (0.61) ALOX5CYP3A4MMP13
SCHEMBL8966035 0.76 ALOX5 (0.57) ALOX5EPHX2
SCHEMBL1489099 0.75 L3MBTL1 (0.45) CYP3A4
SCHEMBL31395062 0.68 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA3
SCHEMBL20491327 0.68 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA3
SCHEMBL6215483 0.68 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3ESR2
SCHEMBL8965561 0.67 BCL2L1 (0.48) ALOX5CYP17A1CYP3A4ESR2CNR1
SCHEMBL8965558 0.67 BCL2L1 (0.48) ALOX5CYP17A1CYP3A4ESR2CNR1
SCHEMBL8965132 0.67 BCL2L1 (0.48) ALOX5CYP17A1CYP3A4ESR2CNR1
SCHEMBL11554410 0.67 ESR2 (0.47) CYP17A1CYP3A4ESR2MMP1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696271-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025430-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO disclosed